Ditridecyl adipate

• Catalog Number: ACM16958922-1
• Product Name: Ditridecyl adipate
• CAS: 16958-92-2
• Category: Polymer/Macromolecule
• Synonyms: Bis(tridecyl) adipate;Hexanedioic acid, 1,6-ditridecyl ester;Hexanedioic acid, ditridecyl ester
• IUPAC Name: Ditridecyl hexanedioate
• Molecular Weight: 510.83
• Molecular Formula: C32H62O4
• Canonical SMILES: CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC
• InChI: LZJUZSYHFSVIGJ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-35-31(33)27-23-24-28-32(34)36-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
• Boiling Point: 503.0±18.0 °C
• Melting Point: 45.9 °C
• Flash Point: 226.2ºC
• Density: 0.906±0.06g/ml
• Alpha Sort: Ditridecyl adipate
• Complexity: 421
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 241-029-0
• Exact Mass: 510.46481045
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 36
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 510.46481045
• Physical State: Liquid
• Rotatable Bond Count: 31
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 26.7cs (40°C)

Custom Q&A

What is the PubChem CID of Ditridecyl adipate?

PubChem CID 85653.

What is the molecular formula of Ditridecyl adipate?

The molecular formula is C32H62O4.

What is the molecular weight of Ditridecyl adipate?

The molecular weight is 510.8 g/mol.

What is the IUPAC name of Ditridecyl adipate?

The IUPAC name is ditridecyl hexanedioate.

What is the InChI of Ditridecyl adipate?

The InChI is InChI=1S/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-35-31(33)27-23-24-28-32(34)36-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3.

What is the InChIKey of Ditridecyl adipate?

The InChIKey is LZJUZSYHFSVIGJ-UHFFFAOYSA-N.

What is the canonical SMILES of Ditridecyl adipate?

The canonical SMILES is CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC.

What is the CAS number of Ditridecyl adipate?

The CAS number is 16958-92-2.

What is the XLogP3-AA value of Ditridecyl adipate?

The XLogP3-AA value is 12.8.

What is the hydrogen bond acceptor count of Ditridecyl adipate?

The hydrogen bond acceptor count is 4.